N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C17H14Cl2N4O2S MolecularWeight: 409.28966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H14Cl2N4O2S/c1-25-12-4-2-3-10(7-12)16(24)20-9-15-21-22-17(26)23(15)11-5-6-13(18)14(19)8-11/h2-8H,9H2,1H3,(H,20,24)(H,22,26)